methyl 4-[2-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]ethylamino]benzoate

Systemtic Name: methyl 4-[2-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]ethylamino]benzoate Openeye Name: methyl 4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethylamino]benzoate CAS Name: 4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]ethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethylamino]benzoate Traditional Name: 4-[2-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]ethylamino]benzoic acid methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCCSC2=C(NC(=NC2=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCCSC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C14H17N5O3S/c1-22-13(21)8-2-4-9(5-3-8)17-6-7-23-10-11(15)18-14(16)19-12(10)20/h2-5,17H,6-7H2,1H3,(H5,15,16,18,19,20)